General
Preferred name
Caprylic alcohol
Synonyms
1-octanol ()
OCTANOL ()
Octan-1-ol ()
P&D ID
PD046303
CAS
68345-29-9
67700-96-3
111-87-5
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
investigational
Max Phase
2.0
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
13
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DrugMAP
Guide to Pharmacology
JUMP-Target 1 Compound Set
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
41
Properties
(calculated by RDKit )
Molecular Weight
130.14
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
0
Aromatic Ring Count
0
cLogP
2.34
TPSA
20.23
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.55
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
GJA1, GJA10, GJA3, GJA4, GJA5, GJA8, GJA9, GJB1, GJB2, GJB3, GJB4, GJB5, GJB6, GJB7, GJC1, GJC2, GJC3, GJD2, GJD3, GJD4, GJE1
GJB4
Calcium Channel
Endogenous Metabolite
Pathway
Membrane Transporter/Ion Channel
Metabolic Enzyme/Protease
Neuronal Signaling
Source data
